CID 115384484

Methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate

Structural Information

Molecular Formula

C₇H₆N₂O₂S

SMILES

COC(=O)C1=CN2C=CN=C2S1

InChI

InChI=1S/C7H6N2O2S/c1-11-6(10)5-4-9-3-2-8-7(9)12-5/h2-4H,1H3

InChIKey

CTUTYJPDHWNMRT-UHFFFAOYSA-N

Compound name

methyl imidazo[2,1-b][1,3]thiazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.015 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.02228	136.1
[M+Na]+	205.00422	147.5
[M+NH4]+	200.04882	144.5
[M+K]+	220.97816	143.9
[M-H]-	181.00772	136.2
[M+Na-2H]-	202.98967	140.4
[M]+	182.01445	138.0
[M]-	182.01555	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe